Related papers: Charge transfer model for the electronic structure…

Orbital reconstruction at interfaces between YBa2Cu3O6 and SrO-terminated SrTiO3 is studied using local spin density approximation (LSDA) with intra-atomic Coulomb repulsion (LSDA+U). The change of population of interfacial Cu 3d orbitals…

A combined experimental and theoretical investigation of the electronic structure of the archetypal oxide heterointerface system LaAlO3 on SrTiO3 is presented. High-resolution, hard x-ray photoemission is used to uncover the occupation of…

This paper derives the anisotropic superexchange interactions from a Hubbard model for excitations within the copper 3d band and the oxygen 2p band of the undoped insulating cuprates. We extend the recent calculation of Yildirim et al.…

LaAlO$_{3}$/SrTiO$_{3}$ heterostructure with polar and non-polar constituents has been shown to exhibit interface metallic conductivity due to fractional charge transfer to the interface. The interface reconstruction by electron…

A quantum-mechanical model of Cu-O-Cu-O four-center four-electron part of the copper-oxide plane embedded in a superconducting crystal La$_{2-x}$Sr$% _{x}$CuO$_{4}$ (LSCO) is considered. It is shown that displacing the nearest-neighbor…

We investigate the current-voltage (IV) characteristics of a model single-electron transistor where mechanical motion, subject to strong dissipation, of a small metallic grain is possible. The system is studied both by using Monte Carlo…

In this work, a numerical study of the superconducting specific heat of the unconventional multiband superconductor Strontium Ruthenate is performed. Two band gaps models are employed, and the results rendered for each of them are compared.…

While both the hole and electron doped cuprates can exhibit $d_{x^2-y^2}$-wave superconductivity, the local distribution of the doped carriers is known to be significantly different with the doped holes going primarily on the O sites while…

The conducting polymer poly(3,4-ethylenedioxythiophene) (PEDOT) is one of the most researched materials. The 1980s bipolaron model remains the dominant interpretation of the electronic structure of PEDOT. Recent theoretical studies have…

The $t_{2g}$ orbitals of an edge-shared transition-metal oxide with a honeycomb lattice structure form dispersionless electronic bands when only hopping mediated by the edge-sharing oxygens is accessible. This is due to the formation of…

High-resolution resonant inelastic X-ray scattering (RIXS) at the oxygen K-edge has been used to study the orbital excitations of Ca2RuO4 and Sr2RuO4. In combination with linear dichroism X-ray absorption spectroscopy, the ruthenium…

In strongly correlated electron materials, the electronic, spin, and charge degrees of freedom are closely intertwined. This often leads to the stabilization of emergent orders that are highly sensitive to external physical stimuli…

We present a comparative experimental and theoretical investigation of the two--dimensional charge-transfer gap in the strongly correlated material Sr$_2$CuO$_2$Cl$_2$. We observe an Urbach behaviour in the absorption profile over a…

We present an angle resolved photoemission study of the surface and bulk electronic structure of the single layer ruthenate Sr$_2$RuO$_4$. As the early studies of its electronic structure by photoemission and scanning tunneling microscopy…

We propose an extended Hubbard model on a 2D Kagome lattice with an additional ring-exchange term. The particles can be either bosons or spinless fermions . At a special filling fraction of 1/6 the model is analyzed in the lowest…

Multi-band quasi-particle calculations based on perturbation theory and dynamical mean field methods show that the creation of a photoemission hole state in Sr$_2$RuO$_4$ is associated with a highly anisotropic self-energy. Since the narrow…

The formation of well-defined three-dimensional (3D) redox-active molecular nanostructures at the electrode surfaces may open additional routes to achieve higher conductance in molecular junctions (MJs). We report here experimental and…

Using ab initio calculations based on the correlated band theory, we have investigated the quasi-one-dimensional chain system $\beta$-V$_2$O(PO$_4$), showing both charge and spin orderings. Even in the uncorrelated region, the pure…

Ca$_{3}$Ru$_{2}$O$_{7}$ is a fascinating material that displays physical properties governed by spin-orbit interactions and structural distortions, showing a wide range of remarkable electronic phenomena. Here, we present a…

The two-dimensional electron gas (2DEG) found in KTaO3-based interfaces has garnered attention due to its remarkable electronic properties. In this study, we investigated the conducting system embedded at the Si3N4/Al//KTO(110)…